⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL7053424 | 0.78 | — | — | |
| SCHEMBL10447586 | 0.73 | — | — | |
| SCHEMBL20384690 | 0.73 | ALDH1A1 (0.36) | — | |
| SCHEMBL10425918 | 0.73 | CA12 (0.73) | — | |
| SCHEMBL15334 | 0.73 | — | — | |
| SCHEMBL4658729 | 0.73 | — | — | |
| SCHEMBL24433147 | 0.71 | — | — | |
| SCHEMBL13018805 | 0.71 | — | — | |
| SCHEMBL20550967 | 0.71 | — | — | |
| SCHEMBL14116735 | 0.71 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2585462-B1 | FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS | TAKEDA PHARMACEUTICALS CO (JP) | 2020-02-26 | — | — | EP | disclosed |